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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1,7,7-trimethylnorbornan-2-yl) 3-methylbut-2-enoate , 3-methyl-2-butenoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester , (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 3-methylbut-2-enoate , 3-methylbut-2-enoic acid 2-bornyl ester
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| Smiles: |
CC(=CC(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C)C
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| InChi : |
InChI=1S/C15H24O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h8,11-12H,6-7,9H2,1-5H3/t11-,12+,15+/m0/s1
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| InChi Key : |
InChIKey=DRMFACTYRZBDGY-YWPYICTPSA-N
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| PubChem ID : |
557842
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| Rotatable bond count : |
3
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
10.044344
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
1.985
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| XLogP : |
4.352
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VDW volume : |
255.590847
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| Molecular weight : |
236.17763
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HOMO-LUMO gap : |
10.207000
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| Herb list : |
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| Refrences & Litretures: |
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